TL;DR: (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester (CAS 102037-93-4) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-phenyl-2-pyridin-2-ylacetate
Also Known As: Methyl 2-phenyl-2-(pyridin-2-yl)acetate, methyl 2-phenyl-2-pyridin-2-ylacetate, PHENYLPYRIDYLMETHYL ACETATE, Methyl phenyl(pyridin-2-yl)acetate, Methyl2-phenyl-2-(pyridin-2-yl)acetate
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.09464 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.09464 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | COC(=O)C(C1=CC=CC=C1)C2=CC=CC=N2 |
| InChIKey | KKHXWKFQTDTPJB-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester is 102037-93-4.
The molecular formula of (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester is C14H13NO2.
The molecular weight of (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester is 227.09464 g/mol.
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